KWI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N18	N17	sing	1.28Å	1.35Å	Aromatic
N18	N19	doub	1.29Å	1.33Å	Aromatic
N17	C16	doub	1.31Å	1.34Å	Aromatic
O14	C13	doub	1.22Å	1.19Å
N19	N20	sing	1.41Å	1.35Å	Aromatic
C16	N20	sing	1.35Å	1.33Å	Aromatic
C16	N15	sing	1.39Å	1.44Å
C2	C3	doub	1.38Å	1.53Å	Aromatic
C2	C1	sing	1.40Å	1.52Å	Aromatic
C13	N15	sing	1.35Å	1.44Å
C13	C1	sing	1.47Å	1.53Å
N20	C21	sing	1.46Å	1.45Å
C3	C4	sing	1.38Å	1.53Å	Aromatic
C1	C6	doub	1.40Å	1.55Å	Aromatic
C26	C25	doub	1.38Å	1.53Å	Aromatic
C26	C27	sing	1.38Å	1.53Å	Aromatic
C4	C5	doub	1.39Å	1.55Å	Aromatic
C6	C5	sing	1.40Å	1.49Å	Aromatic
C6	N9	sing	1.39Å	1.46Å
C25	C24	sing	1.38Å	1.53Å	Aromatic
C5	N7	sing	1.39Å	1.47Å
C10	N9	sing	1.47Å	1.42Å
C27	C22	doub	1.38Å	1.52Å	Aromatic
N9	C8	sing	1.35Å	1.46Å
N7	C8	sing	1.35Å	1.47Å
N7	C12	sing	1.47Å	1.45Å
C24	C23	doub	1.38Å	1.53Å	Aromatic
C8	O11	doub	1.22Å	1.18Å
C22	C23	sing	1.38Å	1.51Å	Aromatic
C22	C12	sing	1.51Å	1.52Å
C23	CL	sing	1.74Å	1.79Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.09Å	1.10Å
C21	H4	sing	1.09Å	1.10Å
C21	H5	sing	1.09Å	1.10Å
C21	H6	sing	1.09Å	1.10Å
C24	H7	sing	1.08Å	1.08Å
C26	H8	sing	1.08Å	1.08Å
C2	H9	sing	1.08Å	1.08Å
C3	H10	sing	1.08Å	1.08Å
C4	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C25	H14	sing	1.08Å	1.08Å
C27	H15	sing	1.08Å	1.08Å
N15	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N17	N18	N19	107.7°	110.3°
N18	N17	C16	107.8°	110.5°
N18	N19	N20	108.6°	106.8°
N17	C16	N20	108.2°	107.1°
N17	C16	N15	127.1°	126.5°
O14	C13	N15	120.2°	120.0°
O14	C13	C1	122.1°	120.0°
N19	N20	C16	107.6°	105.2°
N19	N20	C21	126.7°	127.4°
N20	C16	N15	124.7°	126.4°
C16	N20	C21	125.6°	127.3°
C16	N15	C13	120.7°	120.0°
C16	N15	H16	119.7°	120.0°
C3	C2	C1	120.4°	120.1°
C2	C3	C4	119.7°	120.5°
C3	C2	H9	119.8°	119.9°
C2	C3	H10	120.1°	119.7°
C2	C1	C13	119.6°	120.3°
C2	C1	C6	119.3°	119.5°
C1	C2	H9	119.8°	119.9°
N15	C13	C1	117.7°	120.0°
C13	N15	H16	119.7°	120.0°
C13	C1	C6	121.1°	120.3°
N20	C21	H4	109.5°	109.5°
N20	C21	H5	109.5°	109.5°
N20	C21	H6	109.4°	109.5°
C3	C4	C5	119.8°	120.2°
C4	C3	H10	120.1°	119.8°
C3	C4	H11	120.1°	119.9°
C1	C6	C5	120.9°	119.7°
C1	C6	N9	132.3°	133.3°
C25	C26	C27	120.8°	120.0°
C26	C25	C24	118.7°	120.0°
C25	C26	H8	119.6°	120.0°
C26	C25	H14	120.7°	119.9°
C26	C27	C22	119.7°	120.1°
C27	C26	H8	119.6°	120.0°
C26	C27	H15	120.2°	120.0°
C4	C5	C6	119.8°	120.0°
C4	C5	N7	132.1°	133.3°
C5	C4	H11	120.1°	120.0°
C5	C6	N9	106.7°	106.9°
C6	C5	N7	108.1°	106.8°
C6	N9	C10	127.0°	125.8°
C6	N9	C8	109.5°	108.5°
C25	C24	C23	120.3°	120.0°
C25	C24	H7	119.8°	120.0°
C24	C25	H14	120.7°	120.1°
C5	N7	C8	108.1°	108.2°
C5	N7	C12	128.2°	125.9°
C10	N9	C8	123.5°	125.8°
N9	C10	H1	109.5°	109.5°
N9	C10	H2	109.4°	109.4°
N9	C10	H3	109.5°	109.5°
C27	C22	C23	120.2°	119.9°
C27	C22	C12	121.1°	120.0°
C22	C27	H15	120.1°	120.0°
N9	C8	N7	107.6°	109.6°
N9	C8	O11	125.9°	125.2°
C8	N7	C12	123.7°	125.9°
N7	C8	O11	126.6°	125.2°
N7	C12	C22	109.9°	109.5°
N7	C12	H12	109.4°	109.5°
N7	C12	H13	109.4°	109.4°
C24	C23	C22	120.4°	120.0°
C24	C23	CL	120.9°	120.0°
C23	C24	H7	119.8°	120.0°
C23	C22	C12	118.7°	120.0°
C22	C23	CL	118.7°	120.0°
C22	C12	H12	109.4°	109.5°
C22	C12	H13	109.4°	109.5°
H1	C10	H2	109.5°	109.5°
H1	C10	H3	109.5°	109.5°
H2	C10	H3	109.5°	109.5°
H4	C21	H5	109.5°	109.5°
H4	C21	H6	109.5°	109.4°
H5	C21	H6	109.5°	109.5°
H12	C12	H13	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N17	N18	N19	N20	0.7°	0.0°
N18	N17	C16	N20	0.3°	0.1°
N18	N17	C16	N15	179.3°	179.7°
N19	N18	N17	C16	0.6°	0.0°
N18	N19	N20	C16	0.5°	0.0°
N18	N19	N20	C21	179.3°	179.7°
N17	C16	N20	N19	0.1°	0.1°
N17	C16	N20	N15	179.6°	179.7°
N17	C16	N15	C13	13.9°	0.4°
N17	C16	N20	C21	179.7°	179.7°
N17	C16	N15	H16	166.1°	179.6°
O14	C13	N15	C16	0.3°	0.0°
O14	C13	C1	C2	97.5°	137.6°
O14	C13	N15	C1	180.0°	180.0°
O14	C13	C1	C6	83.6°	42.7°
O14	C13	N15	H16	179.7°	180.0°
N19	N20	C16	C21	179.9°	179.8°
N19	N20	C16	N15	179.7°	179.8°
N19	N20	C21	H4	0.0°	90.3°
N19	N20	C21	H5	120.0°	29.7°
N19	N20	C21	H6	120.0°	149.7°
N20	C16	N15	C13	166.6°	180.0°
C16	N20	C21	H4	179.8°	90.0°
C16	N20	C21	H5	60.2°	150.0°
C16	N20	C21	H6	59.8°	30.0°
N20	C16	N15	H16	13.4°	0.0°
C16	N15	C13	H16	180.0°	180.0°
C16	N15	C13	C1	179.7°	180.0°
N15	C16	N20	C21	0.1°	0.0°
C3	C2	C1	H9	180.0°	180.0°
C3	C2	C1	C13	179.5°	180.0°
C2	C3	C4	H10	180.0°	179.9°
C3	C2	C1	C6	0.6°	0.3°
C2	C3	C4	C5	0.2°	0.1°
C2	C3	C4	H11	179.8°	180.0°
C2	C1	C13	N15	82.5°	42.4°
C2	C1	C13	C6	178.9°	179.7°
C1	C2	C3	C4	0.3°	0.0°
C2	C1	C6	C5	0.6°	0.6°
C2	C1	C6	N9	179.8°	179.8°
C1	C2	C3	H10	179.7°	179.9°
N15	C13	C1	C6	96.4°	137.2°
C13	C1	C6	C5	179.4°	179.7°
C13	C1	C6	N9	0.9°	0.1°
C13	C1	C2	H9	0.5°	0.0°
C1	C13	N15	H16	0.4°	0.0°
N20	C21	H4	H5	120.0°	120.0°
N20	C21	H4	H6	120.0°	120.0°
N20	C21	H5	H6	120.0°	120.0°
C3	C4	C5	H11	180.0°	179.9°
C3	C4	C5	C6	0.2°	0.2°
C3	C4	C5	N7	180.0°	179.9°
C4	C3	C2	H9	179.7°	180.0°
C1	C6	C5	C4	0.1°	0.6°
C1	C6	C5	N9	179.7°	179.7°
C1	C6	C5	N7	179.7°	179.6°
C1	C6	N9	C10	0.8°	0.1°
C1	C6	N9	C8	179.8°	179.2°
C6	C1	C2	H9	179.4°	179.7°
C25	C26	C27	H8	180.0°	179.2°
C26	C25	C24	H14	180.0°	179.1°
C25	C26	C27	C22	0.4°	0.6°
C26	C25	C24	C23	0.7°	0.6°
C26	C25	C24	H7	179.3°	179.4°
C25	C26	C27	H15	179.6°	179.4°
C27	C26	C25	C24	0.6°	0.8°
C26	C27	C22	H15	180.0°	180.0°
C26	C27	C22	C23	0.2°	0.0°
C26	C27	C22	C12	179.6°	179.7°
C27	C26	C25	H14	179.4°	180.0°
C4	C5	C6	N7	179.9°	179.8°
C4	C5	C6	N9	179.9°	179.7°
C4	C5	N7	C8	179.9°	180.0°
C4	C5	N7	C12	0.2°	0.0°
C5	C4	C3	H10	179.8°	180.0°
C5	C6	N9	C10	179.5°	179.7°
C5	C6	N9	C8	0.1°	0.3°
C6	C5	N7	C8	0.1°	0.3°
C6	C5	N7	C12	180.0°	179.8°
C6	C5	C4	H11	179.8°	179.7°
N9	C6	C5	N7	0.0°	0.0°
C6	N9	C10	C8	179.3°	179.3°
C6	N9	C8	N7	0.1°	0.5°
C6	N9	C8	O11	180.0°	179.9°
C6	N9	C10	H1	180.0°	85.0°
C6	N9	C10	H2	60.0°	155.0°
C6	N9	C10	H3	60.0°	35.0°
C25	C24	C23	H7	180.0°	180.0°
C25	C24	C23	C22	0.5°	0.0°
C25	C24	C23	CL	179.7°	180.0°
C24	C25	C26	H8	179.4°	180.0°
C5	N7	C8	N9	0.1°	0.5°
C5	N7	C8	C12	179.9°	180.0°
C5	N7	C8	O11	179.9°	180.0°
C5	N7	C12	C22	67.0°	90.0°
N7	C5	C4	H11	0.1°	0.0°
C5	N7	C12	H12	53.0°	30.0°
C5	N7	C12	H13	172.9°	149.9°
C10	N9	C8	N7	179.6°	179.9°
C10	N9	C8	O11	0.5°	0.5°
N9	C10	H1	H2	120.0°	120.0°
N9	C10	H1	H3	120.0°	120.0°
N9	C10	H2	H3	120.0°	120.0°
C27	C22	C12	N7	17.3°	100.3°
C27	C22	C23	C24	0.3°	0.3°
C27	C22	C23	C12	179.8°	179.7°
C27	C22	C23	CL	179.9°	179.7°
C22	C27	C26	H8	179.7°	179.7°
C27	C22	C12	H12	137.4°	19.7°
C27	C22	C12	H13	102.8°	139.7°
N9	C8	N7	O11	179.9°	179.5°
N9	C8	N7	C12	180.0°	179.5°
C8	N9	C10	H1	0.6°	94.3°
C8	N9	C10	H2	119.4°	25.8°
C8	N9	C10	H3	120.7°	145.7°
C8	N7	C12	C22	113.1°	90.0°
C8	N7	C12	H12	126.8°	149.9°
C8	N7	C12	H13	7.0°	30.0°
C12	N7	C8	O11	0.1°	0.0°
N7	C12	C22	C23	162.5°	80.0°
N7	C12	C22	H12	120.1°	120.0°
N7	C12	C22	H13	120.1°	120.0°
N7	C12	H12	H13	119.8°	119.9°
C24	C23	C22	CL	179.8°	180.0°
C24	C23	C22	C12	179.5°	180.0°
C23	C24	C25	H14	179.3°	179.7°
C22	C23	C24	H7	179.5°	180.0°
C23	C22	C12	H12	42.4°	160.0°
C23	C22	C12	H13	77.4°	40.0°
C23	C22	C27	H15	179.8°	180.0°
C12	C22	C23	CL	0.2°	0.0°
C22	C12	H12	H13	119.8°	120.0°
C12	C22	C27	H15	0.4°	0.3°
CL	C23	C24	H7	0.3°	0.0°
H1	C10	H2	H3	120.0°	120.0°
H4	C21	H5	H6	120.0°	120.0°
H7	C24	C25	H14	0.7°	0.3°
H8	C26	C25	H14	0.6°	0.8°
H8	C26	C27	H15	0.3°	0.3°
H9	C2	C3	H10	0.3°	0.1°
H10	C3	C4	H11	0.2°	0.1°

Release date:	2023-10-18
Definition date:	2022-10-25
Last modified:	2023-10-13
Release status:	REL
Processing site:	PDBJ
Derived from:	8H6A